Molecule

ID:98521

General Information
Structure
Molecular Formula
C₇H₅Br₂F
Molecular Mass
267.9210032
Exact Mass
265.87420238
Charge
0
InChI
InChI=1S/C7H5Br2F/c8-4-5-1-2-6(9)7(10)3-5/h1-3H,4H2
InChIKey
GMVNLHLMJSMARX-UHFFFAOYSA-N
Canonic Smiles
BrCc1ccc(c(c1)F)Br
Isomeric Smiles
BrCc1cc(c(cc1)Br)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.6574378
LogD (pH = 7.4)
3.6574378
Log P
3.6574378
Molar Refractivity
46.7476
Polarizability
17.795486
Polar Surface Area
0.0
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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